N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine

C15H32N4 — CID 115255572

IUPACN,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
SMILESCN1CCC(N(C)CCC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H32N4/c1-15(2,19-11-7-16-8-12-19)6-10-18(4)14-5-9-17(3)13-14/h14,16H,5-13H2,1-4H3
InChIKeySQXCBMUMBNYJMF-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.70
Rot. Bonds5

About N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine

N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine (PubChem CID 115255572) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
PubChem CID115255572
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
SMILESCN1CCC(N(C)CCC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C15H32N4/c1-15(2,19-11-7-16-8-12-19)6-10-18(4)14-5-9-17(3)13-14/h14,16H,5-13H2,1-4H3
InChIKeySQXCBMUMBNYJMF-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598
3-methyl-3-[methyl-(1-methylpyrrolidin-3-yl)amino]butan-1-ol
CID 115134039

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine (CID 115255572) is N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine is CN1CCC(N(C)CCC(C)(C)N2CCNCC2)C1.
What is the InChIKey of N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The InChIKey is SQXCBMUMBNYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2,19-11-7-16-8-12-19)6-10-18(4)14-5-9-17(3)13-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine has a molecular weight of 268.45 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine is sourced from PubChem (CID 115255572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).